============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 11 0.840 13.272 27.074 58.845 -99.200 -91.000 TYR 16 0.840 6.846 26.511 66.807 -99.200 -91.000 TYR 17 0.840 15.364 27.605 65.701 -99.200 -91.000 PHE 29 1.000 26.197 24.354 71.701 -99.200 -91.000 PHE 33 1.000 14.059 24.603 75.493 -99.200 -91.000 TRP 41 1.040 20.484 15.288 71.147 -99.200 -91.000 TRP6 41 1.020 21.046 16.167 69.036 -99.200 -91.000 TYR 51 0.840 28.792 10.913 60.939 -99.200 -91.000 TYR 56 0.840 26.981 22.976 55.505 -99.200 -91.000 HIS 57 0.900 22.929 21.663 62.390 -99.200 -91.000 PHE 60 1.000 30.745 21.361 75.074 -99.200 -91.000 TYR 68 0.840 34.272 17.541 79.305 -99.200 -91.000 HIS 70 0.900 36.296 11.422 80.490 -99.200 -91.000 TYR 79 0.840 15.765 12.000 69.667 -99.200 -91.000 PHE 87 1.000 32.080 12.196 73.991 -99.200 -91.000 PHE 104 1.000 27.040 18.561 77.751 -99.200 -91.000 PHE 115 1.000 19.308 14.939 63.990 -99.200 -91.000 PHE 120 1.000 16.295 20.988 65.697 -99.200 -91.000 PHE 128 1.000 7.017 12.933 83.876 -99.200 -91.000 PHE 140 1.000 10.650 21.496 85.186 -99.200 -91.000 PHE 154 1.000 7.665 21.377 81.191 -99.200 -91.000 PHE 156 1.000 7.202 23.803 75.402 -99.200 -91.000 TYR 157 0.840 2.349 32.287 71.987 -99.200 -91.000 TYR 158 0.840 5.795 25.009 70.101 -99.200 -91.000 HIS 175 0.900 1.850 35.242 74.432 -99.200 -91.000 TYR 176 0.840 -3.116 31.356 79.864 -99.200 -91.000 PHE 180 1.000 -3.439 27.121 81.408 -99.200 -91.000 HIS 181 0.900 -11.387 24.050 80.292 -99.200 -91.000 TYR 182 0.840 -5.075 22.630 84.921 -99.200 -91.000 TRP 191 1.040 5.593 15.461 80.058 -99.200 -91.000 TRP6 191 1.020 4.684 16.555 81.957 -99.200 -91.000 TYR 221 0.840 4.084 17.955 59.579 -99.200 -91.000 PHE 243 1.000 10.694 13.169 51.460 -99.200 -91.000 TYR 245 0.840 -1.086 10.722 54.615 -99.200 -91.000 PHE 260 1.000 -7.023 16.137 67.108 -99.200 -91.000 HIS 261 0.900 -14.612 13.785 74.052 -99.200 -91.000 TYR 267 0.840 -9.151 20.647 74.324 -99.200 -91.000 TYR 274 0.840 -6.915 20.042 58.775 -99.200 -91.000 PHE 276 1.000 2.471 23.499 57.571 -99.200 -91.000 TYR 280 0.840 -5.784 30.821 49.869 -99.200 -91.000 HIS 289 0.900 4.227 13.109 60.585 -99.200 -91.000 TRP 301 1.040 -4.461 9.228 67.915 -99.200 -91.000 TRP6 301 1.020 -5.039 10.202 65.883 -99.200 -91.000 PHE 307 1.000 -4.255 19.787 70.794 -99.200 -91.000 PHE 311 1.000 -6.912 23.917 71.059 -99.200 -91.000 TYR 312 0.840 0.218 29.339 77.320 -99.200 -91.000 PHE 315 1.000 3.698 20.235 78.273 -99.200 -91.000 PHE 324 1.000 -4.029 20.120 76.078 -99.200 -91.000